SCHEMBL24128665

SCHEMBL24128665

CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc(-c4cccc(-c5nc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7cc9c(cc7-8)C(C)(C)c7cc(-c8ccc(-c%10cccc(-c%11nc(-c%12ccccc%12)nc%12c%11sc%11ccccc%11%12)c%10)cc8)ccc7-9)cc6)nc6c5oc5ccccc56)c4)cc2)cc1C3(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.35
▸ MAPT P10636 11/20 0.34
▸ ALDH1A1 P00352 9/20 0.34
▸ KMT2A Q03164 8/20 0.34
▸ LMNA P02545 5/20 0.34
▸ POLB P06746 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NPSR1 Q6W5P4 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 7/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALOX12 P18054 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24128759 0.91 TNKS (0.32) KMT2AMEN1
SCHEMBL24128849 0.91 TNKS (0.32) KMT2AMEN1
SCHEMBL24128864 0.90 PIM1 (0.32) KMT2AMEN1
SCHEMBL24129026 0.90 TSHR (0.41) TSHRMAPTALDH1A1KMT2ALMNA
SCHEMBL24128983 0.90 TSHR (0.41) TSHRMAPTALDH1A1KMT2ALMNA
SCHEMBL24128986 0.89 TSHR (0.41) TSHRMAPTALDH1A1KMT2ALMNA
SCHEMBL24129110 0.88 PIM1 (0.33) KMT2AMEN1
SCHEMBL24128756 0.88 PIM1 (0.33) KMT2AMEN1
SCHEMBL24129108 0.88 PTPRF (0.31) TSHRALDH1A1HPGD
SCHEMBL24128906 0.88 TSHR (0.35) TSHRMAPTALDH1A1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021256881-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2021-12-23 — — WO disclosed
Send feedback